N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H18Cl2N2O — CID 62323935

IUPACN-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-16(2,3)20-10-11-5-4-8-19-15(11)21-14-7-6-12(17)9-13(14)18/h4-9,20H,10H2,1-3H3
InChIKeyRJNAGJLKXQUIOB-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.07
Rot. Bonds4

About N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62323935) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62323935
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-16(2,3)20-10-11-5-4-8-19-15(11)21-14-7-6-12(17)9-13(14)18/h4-9,20H,10H2,1-3H3
InChIKeyRJNAGJLKXQUIOB-UHFFFAOYSA-N
XLogP5.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62323935) is N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccnc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is RJNAGJLKXQUIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-16(2,3)20-10-11-5-4-8-19-15(11)21-14-7-6-12(17)9-13(14)18/h4-9,20H,10H2,1-3H3.
What are the key properties of N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 325.24 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62323935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).